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128-64-3 | Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
CAS No: 128-64-3 Catalog No: AG000XOK MDL No:MFCD00021274
Product Description
Catalog Number:
AG000XOK
Chemical Name:
Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
CAS Number:
128-64-3
Molecular Formula:
C34H16O2
Molecular Weight:
456.4896
MDL Number:
MFCD00021274
IUPAC Name:
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione
InChI:
InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
InChI Key:
BSIHWSXXPBAGTC-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)c2c1cccc2
EC Number:
204-901-1
NSC Number:
5268
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.115g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.5g/mol
Monoisotopic Mass:
456.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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